trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate

C8H11FO2 — CID 11159464

IUPACtrans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(C)[C@]1(F)C[C@@H]1C(=O)OC
InChIInChI=1S/C8H11FO2/c1-5(2)8(9)4-6(8)7(10)11-3/h6H,1,4H2,2-3H3/t6-,8-/m1/s1
InChIKeyJLMWIHRUXAUUSP-HTRCEHHLSA-N
MW158.17 g/mol
LogP1.46
Rot. Bonds2

About trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate

trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate (PubChem CID 11159464) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate
PubChem CID11159464
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Nametrans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(C)[C@]1(F)C[C@@H]1C(=O)OC
InChIInChI=1S/C8H11FO2/c1-5(2)8(9)4-6(8)7(10)11-3/h6H,1,4H2,2-3H3/t6-,8-/m1/s1
InChIKeyJLMWIHRUXAUUSP-HTRCEHHLSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate (CID 11159464) is trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate is C=C(C)[C@]1(F)C[C@@H]1C(=O)OC.
What is the InChIKey of trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The InChIKey is JLMWIHRUXAUUSP-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H11FO2/c1-5(2)8(9)4-6(8)7(10)11-3/h6H,1,4H2,2-3H3/t6-,8-/m1/s1.
What are the key properties of trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate has a molecular weight of 158.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2S)-2-fluoro-2-prop-1-en-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 11159464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).